[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate

C14H11FN6O3 — CID 130221153

IUPAC[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate
SMILESCN(C(=O)On1nnn(-c2cccc(F)c2)c1=O)c1ccccn1
InChIInChI=1S/C14H11FN6O3/c1-19(12-7-2-3-8-16-12)14(23)24-21-13(22)20(17-18-21)11-6-4-5-10(15)9-11/h2-9H,1H3
InChIKeyLRIIQAQEASFAQP-UHFFFAOYSA-N
MW330.28 g/mol
LogP0.65
Rot. Bonds3

About [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate

[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate (PubChem CID 130221153) has the molecular formula C14H11FN6O3 and a molecular weight of 330.28 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate
PubChem CID130221153
Molecular FormulaC14H11FN6O3
Molecular Weight330.28 g/mol
Exact Mass330.09
IUPAC Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate
SMILESCN(C(=O)On1nnn(-c2cccc(F)c2)c1=O)c1ccccn1
InChIInChI=1S/C14H11FN6O3/c1-19(12-7-2-3-8-16-12)14(23)24-21-13(22)20(17-18-21)11-6-4-5-10(15)9-11/h2-9H,1H3
InChIKeyLRIIQAQEASFAQP-UHFFFAOYSA-N
XLogP0.65
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

Analyze [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate?
The IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate (CID 130221153) is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate.
What is the SMILES notation for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate?
The canonical SMILES for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate is CN(C(=O)On1nnn(-c2cccc(F)c2)c1=O)c1ccccn1.
What is the InChIKey of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate?
The InChIKey is LRIIQAQEASFAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O3/c1-19(12-7-2-3-8-16-12)14(23)24-21-13(22)20(17-18-21)11-6-4-5-10(15)9-11/h2-9H,1H3.
What are the key properties of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate?
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate has a molecular weight of 330.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 130221153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).